<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356205</id>
  <title nil="true"/>
  <common-name>7-[[2-(carbamoylamino)-4-[[4-[[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-hydroxypropyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid</common-name>
  <description>7-[[2-(carbamoylamino)-4-[[4-[[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-hydroxypropyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid has the chemical formula C43H36Cl2N18O21S6. With an average molecular weight of 1,404 g/mol, 7-[[2-(carbamoylamino)-4-[[4-[[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-hydroxypropyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>173368</pubchem-id>
  <chemical-formula>C43H36Cl2N18O21S6</chemical-formula>
  <weight>1404.2</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T01:27:58Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCC(CNC3=NC(=NC(=N3)Cl)NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)O)Cl)NC(=O)N)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C43H36Cl2N18O21S6</moldb-formula>
  <moldb-inchi>InChI=1S/C43H36Cl2N18O21S6/c44-36-54-40(58-42(56-36)50-19-1-3-26(28(9-19)52-38(46)65)60-62-30-13-24-17(7-34(30)89(79,80)81)5-22(85(67,68)69)11-32(24)87(73,74)75)48-15-21(64)16-49-41-55-37(45)57-43(59-41)51-20-2-4-27(29(10-20)53-39(47)66)61-63-31-14-25-18(8-35(31)90(82,83)84)6-23(86(70,71)72)12-33(25)88(76,77)78/h1-14,21,64H,15-16H2,(H3,46,52,65)(H3,47,53,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H2,48,50,54,56,58)(H2,49,51,55,57,59)</moldb-inchi>
  <moldb-inchikey>WQWBSAYKASDXFS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1402.000373</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM352098</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>7-[[2-(carbamoylamino)-4-[[4-[[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-hydroxypropyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306455</sync-id>
  <structure-inchikey>WQWBSAYKASDXFS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40002000000100000100800000000002000800000000000180000000100000000000200000000005004000020000002000800000000000000000000000100000000000040080400000108002000020000020000000000000020004000000008000000000010000000810000000100000000000003000800400000000000000002000000008000000000000000000000080001000800100000080000000000000000400000000004000040000080000000180000000000000088001000000060000000000000220000000000000000000000012000000000000000200000000000000008000000001000040000000020400000000004000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������Z���a���€��@h�������@h�������@(������@(������@h�������@(�������h�������@(������@(������@(������@(������@(������@(�������h��������`�������`�������`�������h�������@(������@(������@(������@(������@(������@(������� ������h�������@(������@h�������@(������@(������@h�������@h��������(�������(������@(������@h�������@(������@(������@h�������@(������@h�������@(������@h�������@(������� ������(�������(�������`������� ������(�������(�������`������� ������(�������(�������`�������h��������(�������(�������h��������`������� ������h��������(�������(�������h��������(�������(������@(������@h�������@(������@(������@h�������@(������@h�������@(������@h�������@(������� ������(�������(�������`������� ������(�������(�������`������� ������(�������(�������`��������h���h���h���h���h��� �� ��h��	h�	
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������������������#$)*+"�%&amp;'()$�EFKLMD�GHIJKF����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:02Z</structure-indexed-at>
</compound>
